2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine

C5H12N2O2S — CID 43619975

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine
SMILESNCCN1CCCS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c6-2-4-7-3-1-5-10(7,8)9/h1-6H2
InChIKeyWFUZELMUSFRVKO-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.02
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine (PubChem CID 43619975) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine
PubChem CID43619975
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine
SMILESNCCN1CCCS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c6-2-4-7-3-1-5-10(7,8)9/h1-6H2
InChIKeyWFUZELMUSFRVKO-UHFFFAOYSA-N
XLogP-1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine (CID 43619975) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine is NCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine?
The InChIKey is WFUZELMUSFRVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-2-4-7-3-1-5-10(7,8)9/h1-6H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine has a molecular weight of 164.23 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine is sourced from PubChem (CID 43619975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).